Information card for entry 4066921

Structure parameters

• Formula: C31 H29 Mo N3 O2 P2
• Calculated formula: C31 H29 Mo N3 O2 P2
• SMILES: [Mo]123([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(N=N#N)(C#[O])(C#[O])[CH2]=[CH]2C3
• Title of publication: [3+2] Cycloadditions of Molybdenum(II) Azide Complexes with Nitriles and an Alkyne
• Authors of publication: Liu, Fu-Chen; Lin, Yu-Liang; Yang, Pei-Shan; Lee, Gene-Hsian; Peng, Shie-Ming
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 19
• Pages of publication: 4282
• a: 9.2366 ± 0.0006 Å
• b: 11.6243 ± 0.0007 Å
• c: 26.1056 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2802.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No